SCHEMBL10555560

SCHEMBL10555560

COc1cc(C)cnc1CCl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.43
▸ MAPT P10636 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ L3MBTL1 Q9Y468 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ DPP4 P27487 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11918255 0.82 ACHE (0.40) ACHEL3MBTL1MAPK1DPP4SMN1; SMN2
SCHEMBL15034187 0.82 DPP4 (0.45) ACHEMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL13936206 0.81 ACHE (0.43) ACHEMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL23704445 0.79 ALDH1A1 (0.36) MAPTALDH1A1MEN1POLBALOX12
SCHEMBL30164264 0.75 NOS3 (0.46) L3MBTL1MAPK1KMT2ARAB9ACYP1A2
SCHEMBL286660 0.75 NOS3 (0.46) L3MBTL1MAPK1KMT2ARAB9ACYP1A2
SCHEMBL13928210 0.74 CHRNB2 (0.43) ACHEMAPTHPGDL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL1193387 0.74 NOS3 (0.45) L3MBTL1CYP1A2
Hydrochloric Acid SCHEMBL29861810 0.74 NOS3 (0.45) L3MBTL1CYP1A2
SCHEMBL10084727 0.73 ACHE (0.46) ACHEMAPTHPGDL3MBTL1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4861780-A 4(3H)-quinazolinone derivatives and pharmaceutical compositions NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-08-29 — — US disclosed
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